chempirical

z-d-Glu(obzl)-oh

C20H21NO6CAS 59486-73-6371.39 g/mol

Open in Covalent MOL file
ONHOOOOHO
Carboxylic acidEster

Properties

Molecular formula
C20H21NO6
Molar mass
371.39 g/mol
Exact mass
371.1369 Da
logP
3.09Crippen estimate
Polar surface area
105.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
9
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
59486-73-6
SMILES
O=C(CC[C@@H](N=C(O)OCc1ccccc1)C(=O)O)OCc1ccccc1
InChIKey
TWIVXHQQTRSWGO-QGZVFWFLSA-N
InChI
InChI=1S/C20H21NO6/c22-18(26-13-15-7-3-1-4-8-15)12-11-17(19(23)24)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,23,24)/t17-/m1/s1

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Names and synonyms

4 names
  • 5-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-D-glutamate
  • D-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 5-(phenylmethyl) ester
  • N-Carbobenzoxy-D-glutamic acid γ-benzyl ester
  • (2R)-5-Oxo-5-phenylmethoxy-2-(phenylmethoxycarbonylamino)pentanoic acid

Work with z-d-Glu(obzl)-oh

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

5-(Phenylmethyl) hydrogen N-((phenylmethoxy)carbonyl)-L-glutamate5680-86-4Enantiomer

Similar compounds

N-(Benzyloxycarbonyl)-L-glutamic acid1155-62-080 % similar 4-(Phenylmethyl) hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate3479-47-880 % similar 5-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13574-13-578 % similar 5-tert-Butyl N-((phenylmethoxy)carbonyl)-L-glutamate3886-08-678 % similar N2-[(Phenylmethoxy)carbonyl]-L-glutamine2650-64-877 % similar 5-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate123639-61-276 % similar N-((Phenylmethoxy)carbonyl)norvaline21691-43-074 % similar (S)-2-(((Benzyloxy)carbonyl)amino)pentanoic acid21691-44-174 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Cbz-L-glutamic acid 1-benzyl ester3705-42-8 Z-D-Glu-OBzl65706-99-2

Elsewhere

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